SCHEMBL3493368

SCHEMBL3493368

CC(C)(C)OC(=O)N1CCC(C#N)(C(=O)Nc2ccc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
TRPV1 Q8NER1 4/20 0.43
JAK2 O60674 2/20 0.42
JAK1 P23458 2/20 0.42
SYK P43405 2/20 0.42
NPY5R Q15761 1/20 0.41
GPR119 Q8TDV5 2/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TACR1 P25103 1/20 0.40
EPHX2 P34913 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3493778 0.88 JAK2 (0.53) F13A1TGM2TGM1JAK2JAK1
SCHEMBL3494561 0.87 F13A1 (0.46) MAPTF13A1TGM2TGM1JAK2
SCHEMBL3494176 0.87 SYK (0.52) MAPTJAK2JAK1SYKGPR119
SCHEMBL3492228 0.86 F13A1 (0.46) F13A1TGM2TGM1JAK2JAK1
SCHEMBL3493008 0.86 RAB9A (0.46) MAPTTRPV1HIF1AEPAS1EPHX2
SCHEMBL14155677 0.85 MAPT (0.48) MAPTF13A1TGM2TGM1TRPV1
SCHEMBL4444104 0.85 HIF1A (0.44) MAPTTRPV1NPY5RHIF1AEPAS1
SCHEMBL3492076 0.83 JAK2 (0.53) F13A1TGM2TGM1JAK2JAK1
SCHEMBL3490987 0.82 MAPT (0.46) MAPTF13A1TGM2TGM1TRPV1
SCHEMBL3492907 0.82 JAK2 (0.47) MAPTF13A1TGM2TGM1TRPV1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 US disclosed
EP-2125820-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY Astex Therapeutics Limited (GB) 2009-12-02 EP disclosed
WO-2008075110-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 MAPT 3976/4885F13A1 2517/4885TGM2 821/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.